The microscopic origin of the N-x EPR-lines observed in heavily nitrogen doped 4H-SiC and 6H-SiC is discussed with the help of EPR parameters calculated from first principles. Based on the symmetry of the g-tensors we propose a model with distant N-C donor pairs on inequivalent lattice sites which are coupled to S=1 centers but with nearly vanishing zero-field splittings, giving rise to an essentially S=1/2 like spectrum. The proposed aggregation in neutral donor pairs can contribute to the saturation of the free concentration observed in heavily nitrogen doped SiC.

Nitrogen donor aggregation in 4H-SiC: g-tensor calculations / Gerstmann, U.; Rauls, E.; Greulich-Weber, S.; Kalabukhova, E. N.; Savchenko, D. V.; Poeppl, A.; Mauri, F.. - 556-557:(2007), pp. 391-394.

Nitrogen donor aggregation in 4H-SiC: g-tensor calculations

Mauri, F.
2007

Abstract

The microscopic origin of the N-x EPR-lines observed in heavily nitrogen doped 4H-SiC and 6H-SiC is discussed with the help of EPR parameters calculated from first principles. Based on the symmetry of the g-tensors we propose a model with distant N-C donor pairs on inequivalent lattice sites which are coupled to S=1 centers but with nearly vanishing zero-field splittings, giving rise to an essentially S=1/2 like spectrum. The proposed aggregation in neutral donor pairs can contribute to the saturation of the free concentration observed in heavily nitrogen doped SiC.
2007
nitrogen; paramagnetic resonance; g-tensors; density functional theory
01 Pubblicazione su rivista::01a Articolo in rivista
Nitrogen donor aggregation in 4H-SiC: g-tensor calculations / Gerstmann, U.; Rauls, E.; Greulich-Weber, S.; Kalabukhova, E. N.; Savchenko, D. V.; Poeppl, A.; Mauri, F.. - 556-557:(2007), pp. 391-394.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1337178
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